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· · COA & SDS available for every product · Same-day shipping on in-stock items (3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol - ≥98% , CAS No.105812-81-5
Synonyms
(-)TRANS-4R-(4-FLUOROPHENYL)-3S-HYDROXYMETHYL-1-METHYLPIPERIDINE | AKOS015895971 | DTXSID90909750 | IDR7471BR7 | PIPERIDINEMETHANOL, 4-(4-FLUOROPHENYL)-1-METHYL-, (3R,4S)-REL- | FS-3020 | PAROXOL, TRANS-(+/-)- | (4R,3S)-4-(4-Fluorophenyl)-1-methyl-3-piper
Storage
Room temperature,Desiccated
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
(-)TRANS-4R-(4-FLUOROPHENYL)-3S-HYDROXYMETHYL-1-METHYLPIPERIDINE | AKOS015895971 | DTXSID90909750 | IDR7471BR7 | PIPERIDINEMETHANOL, 4-(4-FLUOROPHENYL)-1-METHYL-, (3R, 4S)-REL- | FS-3020 | PAROXOL, TRANS-(+/-)- | (4R, 3S)-4-(4-Fluorophenyl)-1-methyl-3-piper
Specifications & Purity
≥98%
Storage
Room temperature, Desiccated
Names and Identifiers Pubchem Sid 504761087 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504761087 Canonical Smiles CN1CCC(C(C1)CO)C2=CC=C(C=C2)F IUPAC Name [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol InChIKey CXRHUYYZISIIMT-AAEUAGOBSA-N INCHI 1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1 Isomeric SMILES CN1CC[C@H]([C@@H](C1)CO)C2=CC=C(C=C2)F Molecular Weight 223.29 Reaxy-Rn 9126428 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9126428&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Piperidines Subclass Phenylpiperidines Intermediate Tree Nodes Not available Direct Parent Phenylpiperidines Alternative Parents Fluorobenzenes Aralkylamines Aryl fluorides 1,3-aminoalcohols Trialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpiperidine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Methanol Specific Rotation[α] -32.0 to -39.0° Melt Point(°C) 98.0 to 102.0 deg-C Molecular Weight 223.290 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 223.137 Da Monoisotopic Mass 223.137 Da Topological Polar Surface Area 23.500 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 216.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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